SCHEMBL2798196

SCHEMBL2798196

COC(=O)c1cccc2c1Cc1c-2[nH]c(=O)c2cscc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MDH2 P40926 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
PARP1 P09874 1/20 0.38
TRPA1 O75762 2/20 0.37
PTPRC P08575 1/20 0.37
KDR P35968 5/20 0.37
ROCK2 O75116 1/20 0.37
CSF1R P07333 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3A P49840 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10255786 0.87 CCNB2 (0.47) GSK3BCCNB2CDK1CCNB1MDH2
SCHEMBL3058070 0.82 GSK3B (0.39) GSK3BCCNB2CDK1CCNB1MDH2
SCHEMBL2791516 0.82 PARP1 (0.36) GSK3BCCNB2CDK1CCNB1MDH2
SCHEMBL13086468 0.79 MAP2K1 (0.45) GSK3BCCNB2CDK1CCNB1MDH2
SCHEMBL2777757 0.79 KDM4E (0.43) GSK3BCCNB2CDK1CCNB1MDH2
SCHEMBL7896161 0.76 CA1 (0.38) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL12768354 0.74 PIM1 (0.49) GSK3BPARP1KDM4EGAAGLA
SCHEMBL2791748 0.73 CA1 (0.38) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL14079332 0.71 PARP1 (0.50) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL14178911 0.69 PTPRC (0.51) CA1CA2PARP1TRPA1PTPRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US disclosed
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 GSK3B 3328/4885CCNB2 1242/4885CDK1 782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.